fix tests

vm-vh · Sep 18, 2024 · 1414091 · 1414091
1 parent 8a2b06b
commit 1414091
Showing 1 changed file with 4 additions and 3 deletions.
diff --git a/test/runtests.jl b/test/runtests.jl
@@ -7,15 +7,16 @@ using Test, DataFrames, DataFramesMeta
     ala_m57 = "C11H26N1O2Si2LabC3"
     response_vec = [2500000, 2000000, 2500000, 800000]
 
+    corr_response, corr_MID, mean_enrichment, residuum = isotope_correction(response_vec, ala_m57; tracer_purity = 0.8)
     @test corr_response ≈ [3.7494356377578774e6, 1.582246275076472e6, 3.110758584864337e6, 392021.5450371306]
     @test corr_MID ≈ [0.42441018135800024, 0.17909933478943207, 0.3521163563572243, 0.04437412749534335]
     @test mean_enrichment ≈ 0.5041136074974777
     @test isapprox(residuum, [7.161631798132872e-13, 8.285188904175392e-13, -1.0657673462843284e-12, 6.363440591555375e-13]; atol = 1e16)
 
     corr_response, corr_MID, mean_enrichment = isotope_correction(response_vec, ala_m57; tracer_purity = 0.8, optimization = false)
-    @test corr_response ≈ [2.788815753935856e6, 1.7402842780064365e6, 2.8703208164970432e6, 961526.0409580052]
-    @test corr_MID ≈ [0.333552621590313, 0.20814440051201863, 0.3433009268527882, 0.11500205104488019]
-    @test mean_enrichment ≈ 0.5599381018380588
+    @test corr_response ≈ [3.7494356377637773e6, 1.5822462750899016e6, 3.1107585848453073e6, 392021.54504765704]
+    @test corr_MID ≈ [0.424410181358148, 0.17909933479073276, 0.35211635635463884, 0.044374127496480495]
+    @test mean_enrichment ≈ 0.504113607497363
 
     df = DataFrame(
         Sample = repeat([1, 2], inner = 11),